SCHEMBL2205576

SCHEMBL2205576

Cc1cnc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.43
CALCA P06881 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NAMPT P43490 1/20 0.36
SCD O00767 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2208554 0.88 KCNE1 (0.52) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2207088 0.87 CYP2C9 (0.46) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2206976 0.86 KCNH2 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2205655 0.86 KCNH2 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2207959 0.85 KCNH2 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2206783 0.85 KCNH2 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2204745 0.84 KCNH2 (0.47) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2205941 0.83 KCNH2 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2203693 0.83 CYP2C9 (0.46) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL2204166 0.83 CYP2C9 (0.48) KCNE1CCR1KCNQ1KCNH2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 KCNE1 2704/4885CCR1 1288/4885KCNQ1 2593/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 KCNE1 3373/4885CCR1 2750/4885KCNQ1 3254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.